SCHEMBL6034969

SCHEMBL6034969

O=C(O)Nc1cncc(C#CCN2CCCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
GRM5 P41594 1/20 0.40
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 1/20 0.38
MMP13 P45452 1/20 0.37
PIK3CD O00329 2/20 0.36
PIK3R1 P27986 2/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CB P42338 2/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
PIK3CG P48736 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPK14 Q16539 1/20 0.36
PRMT5 O14744 3/20 0.36
WDR77 Q9BQA1 3/20 0.36
BLM P54132 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6035817 0.83 ACHE (0.41) LMNAGRM5PIK3CDPIK3R1PIK3CA
SCHEMBL6035211 0.79 GRM5 (0.45) LMNAGRM5RAB9ANPC1L3MBTL1
SCHEMBL6035359 0.76 ALDH1A1 (0.36) LMNAGRM5PIK3CDPIK3R1PIK3CA
SCHEMBL6034834 0.75 LMNA (0.55) LMNAGRM5RAB9ANPC1L3MBTL1
SCHEMBL6034128 0.71 KDM4E (0.41) LMNARAB9AMAPK1MMP13PIK3CA
SCHEMBL1025139 0.71 MAPT (0.39) LMNASCN10AKDM4EALDH1A1PRMT5
SCHEMBL28723840 0.70 GPR35 (0.47) LMNAGRM5SCN10AALDH1A1KMT2A
SCHEMBL1025540 0.70 DYRK1A (0.40) GRM5RAB9ANPC1SCN10AKDM4E
SCHEMBL4638868 0.69 RET (0.41) PIK3CAPIK3CBABL1LCKRET
SCHEMBL31673428 0.66 LMNA (0.61) LMNAGRM5KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1414801-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-05-06 EP claimed
WO-2003004472-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 WO claimed
US-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 ASTRAZENECA (SE) 2006-03-09 US disclosed
EP-1414801-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-05-06 EP disclosed
WO-2003004472-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 GSK3A, GSK3B, PYGL LMNA 114/4885GRM5 1861/4885RAB9A 859/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.